SCHEMBL4408466

SCHEMBL4408466

CN1CCN2C(=O)c3ccccc3NC(=O)C2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 5/20 0.50
▸ HTR2C P28335 4/20 0.50
▸ HTR2B P41595 4/20 0.50
▸ GFER P55789 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ DRD4 P21917 2/20 0.40
▸ CRBN Q96SW2 2/20 0.39
▸ CHRM2 P08172 2/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DDB1 Q16531 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11453737 0.83 KDM4E (0.62) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL4406266 0.83 GFER (0.42) HTR2AHTR2CHTR2BGFERALDH1A1
SCHEMBL10977219 0.81 ALDH1A1 (0.55) HTR2AHTR2CHTR2BGFERALDH1A1
SCHEMBL10974938 0.81 ALDH1A1 (0.55) HTR2AHTR2CHTR2BGFERALDH1A1
SCHEMBL10974936 0.81 ALDH1A1 (0.55) HTR2AHTR2CHTR2BGFERALDH1A1
SCHEMBL5121758 0.78 ALDH1A1 (0.68) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL7270310 0.78 ALDH1A1 (0.68) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL7709727 0.78 ALDH1A1 (0.68) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL11377237 0.78 HTR2A (0.57) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL5710904 0.77 ALDH1A1 (0.62) HTR2AHTR2CHTR2BALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 — — US claimed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 — — US disclosed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 — — US disclosed
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 — — US disclosed
US-7317005-B2 Tricyclic benzodiazepines as vasopressin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 — — US disclosed
US-7317005-B2 Tricyclic benzodiazepines as vasopressin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-01-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318412-A1 Tricyclic heterocyclic compound and use thereof HTR2C, HTR2A, HTR5A HTR2A 2/4885HTR2C 1/4885HTR2B 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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